SCHEMBL9130849

SCHEMBL9130849

CC(=O)Cc1ccc(O)c(O)c1O.[KH]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.44
PRKCI P41743 1/20 0.43
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NPY1R P25929 1/20 0.39
PTGS2 P35354 1/20 0.39
OPRD1 P41143 1/20 0.39
MTOR P42345 1/20 0.39
HK2 P52789 1/20 0.39
ESR2 Q92731 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL660344 0.98 IAPP (0.46) IAPPPRKCISELLSELPESR1
SCHEMBL5201499 0.83 TYR (0.49) IAPPPRKCI
SCHEMBL5202172 0.82 ERCC1 (0.41) IAPPPRKCI
SCHEMBL1426061 0.81 IAPP (0.67) IAPP
SCHEMBL31013617 0.81 IAPP (0.67) IAPP
SCHEMBL9025960 0.79 PRKCI (0.42) PRKCI
SCHEMBL22982305 0.79 SELL (0.44) SELLSELPESR1ADORA3NPY1R
SCHEMBL31618870 0.79 SELL (0.44) SELLSELPESR1ADORA3NPY1R
SCHEMBL26046412 0.79 IAPP (0.70) IAPPPRKCI
SCHEMBL28194562 0.79 PRKCI (0.38) IAPPPRKCIESR1ADORA3NPY1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442017-A Addition polymerization in vessel with interior wall coating comprised of condesation product of aromatic amine, aromatic alcohol and acetone plus polymeric material and colloidal silica SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-08-15 US disclosed